SCHEMBL4869758

SCHEMBL4869758

COC(=O)C1(C=NOCc2ccccc2)C[C@H](C)C[C@H](C)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.40
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NAMPT P43490 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR2C P28335 1/20 0.36
METAP2 P50579 2/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX2 P34913 1/20 0.35
HPGD P15428 1/20 0.34
FAAH O00519 1/20 0.34
CNR2 P34972 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6231915 1.00 ADAM17 (0.40) ADAM17MAPTALDH1A1LMNATP53
SCHEMBL6237225 0.90 HTR2C (0.39) MAPTALDH1A1LMNATP53GAA
SCHEMBL4871801 0.90 HTR2C (0.39) MAPTALDH1A1LMNATP53GAA
SCHEMBL4871791 0.90 HTR2C (0.39) MAPTALDH1A1LMNATP53GAA
SCHEMBL4864653 0.86 METAP2 (0.39) ADAM17MAPTALDH1A1LMNAGAA
SCHEMBL4866445 0.86 METAP2 (0.39) ADAM17MAPTALDH1A1LMNAGAA
SCHEMBL4864657 0.86 METAP2 (0.39) ADAM17MAPTALDH1A1LMNAGAA
SCHEMBL4864631 0.83 LMNA (0.40) ALDH1A1LMNANAMPTMETAP2PKM
SCHEMBL4864635 0.83 LMNA (0.40) ALDH1A1LMNANAMPTMETAP2PKM
SCHEMBL4868098 0.82 ADAM17 (0.36) ADAM17MAPTALDH1A1HTTNAMPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US disclosed
US-20060160802-A1 Peptide deformylase inhibitors GLAXO GROUP LIMITED 2006-07-20 US disclosed
WO-2005005456-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-01-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060160802-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 ADAM17 143/4885MAPT 3716/4885ALDH1A1 4302/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.